2,6-dimethoxybenzenesulfonyl chloride;ethane

C12H21ClO4S — CID 155744790

IUPAC2,6-dimethoxybenzenesulfonyl chloride;ethane
SMILESCC.CC.COc1cccc(OC)c1S(=O)(=O)Cl
InChIInChI=1S/C8H9ClO4S.2C2H6/c1-12-6-4-3-5-7(13-2)8(6)14(9,10)11;2*1-2/h3-5H,1-2H3;2*1-2H3
InChIKeyFFSLQUZWWYLNOX-UHFFFAOYSA-N
MW296.82 g/mol
LogP3.68
Rot. Bonds3

About 2,6-dimethoxybenzenesulfonyl chloride;ethane

2,6-dimethoxybenzenesulfonyl chloride;ethane (PubChem CID 155744790) has the molecular formula C12H21ClO4S and a molecular weight of 296.82 g/mol. Its IUPAC name is 2,6-dimethoxybenzenesulfonyl chloride;ethane.

Molecular Properties

Compound Name2,6-dimethoxybenzenesulfonyl chloride;ethane
PubChem CID155744790
Molecular FormulaC12H21ClO4S
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC Name2,6-dimethoxybenzenesulfonyl chloride;ethane
SMILESCC.CC.COc1cccc(OC)c1S(=O)(=O)Cl
InChIInChI=1S/C8H9ClO4S.2C2H6/c1-12-6-4-3-5-7(13-2)8(6)14(9,10)11;2*1-2/h3-5H,1-2H3;2*1-2H3
InChIKeyFFSLQUZWWYLNOX-UHFFFAOYSA-N
XLogP3.68
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,6-dimethoxybenzenesulfonyl chloride;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxybenzenesulfonyl chloride;ethane?
The IUPAC name of 2,6-dimethoxybenzenesulfonyl chloride;ethane (CID 155744790) is 2,6-dimethoxybenzenesulfonyl chloride;ethane.
What is the SMILES notation for 2,6-dimethoxybenzenesulfonyl chloride;ethane?
The canonical SMILES for 2,6-dimethoxybenzenesulfonyl chloride;ethane is CC.CC.COc1cccc(OC)c1S(=O)(=O)Cl.
What is the InChIKey of 2,6-dimethoxybenzenesulfonyl chloride;ethane?
The InChIKey is FFSLQUZWWYLNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO4S.2C2H6/c1-12-6-4-3-5-7(13-2)8(6)14(9,10)11;2*1-2/h3-5H,1-2H3;2*1-2H3.
What are the key properties of 2,6-dimethoxybenzenesulfonyl chloride;ethane?
2,6-dimethoxybenzenesulfonyl chloride;ethane has a molecular weight of 296.82 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxybenzenesulfonyl chloride;ethane is sourced from PubChem (CID 155744790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).